MMsINC Database Search


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MMsINC code: MMs00685692

Type: Neutral
Formula: C₁₇H₁₃Cl₂FN₂O₂

SMILES:

Clc1cc(Cl)ccc1NC(=O)C1CC(=O)N(C1)c1ccc(F)cc1

InChI:

InChI=1/C17H13Cl2FN2O2/c18-11-1-6-15(14(19)8-11)21-17(24)10-7-16(23)22(9-10)13-4-2-12(20)3-5-13/h1-6,8,10H,7,9H2,(H,21,24)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7533 kcal/mol

Physical Properties
Molecular Weight: 367.207 g/mol	logS: -5.02821	SlogP: 4.1241	Reactive groups: 0

Topological Properties
Globularity: 0.0220412	Sterimol/B1: 2.74498	Sterimol/B2: 3.77601	Sterimol/B3: 3.83775
Sterimol/B4: 5.19173	Sterimol/L: 18.721

Surface and Volume Properties
Accessible surface: 567.186	Positive charged surface: 246.724	Negative charged surface: 320.462	Volume: 304.75
Hydrophobic surface: 504.122	Hydrophilic surface: 63.064

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.